AG00ILH2

7177-48-2 | (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate

AG00ILH2

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CAS Number	7177-48-2
Catalog Number	AG00ILH2(AGN-PC-0TZ8QT)
Chemical Name	(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate
EC Number	615-347-9
IUPAC Name	(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate
InChI	InChI=1S/C16H19N3O4S.3H2O/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;;;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
InChI Key	RXDALBZNGVATNY-CWLIKTDRSA-N
MDL Number	MFCD00072036
Molecular Formula	C16H25N3O7S
Molecular Weight	403.4506
SMILES	O.O.O.N[C@@H](C(=O)N[C@H]1[C@H]2SC([C@@H](N2C1=O)C(=O)O)(C)C)C1=CC=CC=C1
UNII	HXQ6A1N7R6
Synonyms	Amcill, Aminobenzyl Penicillin, Aminobenzylpenicillin, Ampicillin, Ampicillin Sodium, Ampicillin Trihydrate, Antibiotic KS R1, Antibiotic KS-R1, KS-R1, Antibiotic, Omnipen, Penicillin, Aminobenzyl, Pentrexyl, Polycillin, Sodium, Ampicillin, Trihydrate, Ampicillin, Ukapen, AMPICILLIN TRIHYDRATE, 7177-48-2, Aminobenzylpenicillin trihydrate, Amperil, Ampinova, Trafarbiot, Amcap, Cymbi, Ampicillin 3-wasser, UNII-HXQ6A1N7R6, alpha-Aminobenzylpenicillin trihydrate, CCRIS 267, HXQ6A1N7R6, CHEBI:31209, (D-(-)-alpha-Aminobenzyl)penicillin trihydrate, vidopen, NCI-C56086, AMPICILLIN/AMPICILLIN TRIHYDRATE, (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate, C16H25N3O7S, OMNIPEN (AMPICILLIN), (2S,5R,6R)-6-((R)-2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, trihydrate, (2S,5R,6R)-, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, trihydrate, (2S-(2alpha,5alpha,6beta(S*)))-, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, trihydrate, D- (-)-, ukopen, mo repen, C16H19N3O4S.3H2O, (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate, (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate, CAS-7177-48-2, Amcill (TN), ampicilline trihydrate, Ampicillin (trihydrate), DSSTox_CID_83, AC1L2MMH, Ampicillin hydrate (JP17), DSSTox_RID_75354, DSSTox_GSID_20083, degrees +/-UEthCaA(1)EO, Ampicillin Trihydrate, Sodium, CHEMBL453388, Ampicillin/ampicillin monohydrate, DTXSID9020083, KS-00000FNB, RXDALBZNGVATNY-CWLIKTDRSA-N, HMS1568G10, HMS2095G10, HMS3712G10, Tox21_201148, s4148, AKOS015915153, API0006559, CCG-220114, KS-5251, LS-1610, NCGC00023282-03, NCGC00258700-01, Q936, degrees +/-UEthI/AO EyE(R) masculineIIi, AB1009248, Ampicillin, meets USP testing specifications, FT-0622360, AMPICILLIN TRIHYDRATE, NON-STERILE USP, A-8689, AMPICILLIN TRIHYDRA TE, NON-STERILE USP, D01251, J10197, 005A175, SR-01000000061, I14-6965, SR-01000000061-4, D-(-)-|A-Aminobenzylpenicillin; Ampicillin trihydrate, Ampicillin trihydrate, VETRANAL(TM), analytical standard, (6R)-6-(alpha-D-phenylglycylamino)penicillanic acid trihydrate, AMPICILLIN TRIHYDRATE (SEE ALSO AMPICILLIN 69-53-4), Ampicillin trihydrate, 96.0-100.5% anhydrous basis (HPLC), Ampicillin trihydrate, British Pharmacopoeia (BP) Reference Standard, Ampicillin trihydrate, European Pharmacopoeia (EP) Reference Standard, Ampicillin trihydrate, United States Pharmacopeia (USP) Reference Standard, 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid trihydrate, Ampicillin Trihydrate, Pharmaceutical Secondary Standard; Certified Reference Material, D-(-)-6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate, ampicillin, Polycillin, Penbritin, Principen, Campicillin, Divercillin, Princillin, Totacillin, Ampichel, Lifeampil, Pentrexyl, Acillin, Ampikel, Binotal, Morepen, Amcill, Amplin, Pensyn, Adobacillin, Ampicilina, Ampicillina, Ampicilline, Ampicillinum, Amplacilina, Amplipenyl, Bonapicillin, Copharcilin, Doktacillin, Duphacillin, Guicitrina, Norobrittin, Orbicilina, Penbristol, Probampacin, Racenacillin, Rosampline, Semicillin, Servicillin, Tokiocillin, Totalciclina, Trifacilina, Amblosin, Ampifarm, Ampipenin, Ampiscel, Amplisom, Amplital, Austrapen, Britacil, Delcillin, Geocillin, Grampenil, Penbrock, Penicline, Pentrexl, Roscillin, Sumipanto, Synpenin, Texcillin, Ultrabion, Ultrabron, Viccillin, Amfipen, Ampicil, Ampicin, Ampimed, Ampisyn, Ampivax, Ampivet, Deripen, Nuvapen, Omnipen, Penimic, Pentrex, Ponecil, Tolomol, Totapen, Wypicil, Vampen, Ro-Ampen, Alpen, Cimex, Supen, Ampicillin acid, ampicillin-, Novo-ampicillin, Penbritin syrup, Ampicillin A, D-Ampicillin, Semicillin R, Pfizerpen A, Pfizerpen-A, SK-Ampicillin, Viccillin S, Amipenix S, Ampi-bol, Ampy-Penyl, Polycillin-PRB, Amfipen V, Pen Ampil, QIDamp, Ampi-Tab, D-Cillin, Olin Kid, Pen A, Ampi-Co, AmpicillinTrihydrate, Ampicillin anhydrate, Penbritin paediatric, Aminobenzylpenicillin, Ampicillina [DCIT], D-(-)-Ampicillin, Principen '125', Principen '250', Principen '500', AB-PC Sol, AB-PC, Bayer 5427, Ampicilina [INN-Spanish], Ampicilline [INN-French], Ampicillinum [INN-Latin], D-(-)-alpha-Aminopenicillin, PRINCIPEN W/ PROBENECID, UNII-7C782967RD, C16H19N3O4S, HSDB 3009, Penicillin, (aminophenylmethyl)-, D-(-)-alpha-Aminobenzylpenicillin, HI 63, Ampicillin [USAN:BAN:INN:JAN], Ampicillin [USAN:INN:BAN:JAN], BRL 1341, BRL-1341, CID23565, EINECS 200-709-7, C16-H19-N3-O4-S, Ampicillin [USAN:USP:INN:BAN:JAN], AY-6108, BA 7305, CS-O-00831, NSC 528986, NSC-528986, WY-5103, Ampicillin trihydrate, 98% - 25G 25g, AY 6108, P 50, P-50, SQ 17382, C16-H19-N3-O4-S.3H2-O, EC 200-709-7, 6-[D(-)alpha-aminophenylacetamido]penicillanic acid, 6-(D(-)-alpha-Aminophenylacetamido)penicillanic acid, D-(-)-6-(alpha-Aminophenylacetamido)penicillanic acid, 69-53-4, (2S,5R,6R)-6-((R)-2-Amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, trihydrate, (2S,5R,6R)-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, trihydrate, D-(-)-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, [2S-[2alpha,5alpha,6beta(S*)]]-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, trihydrate, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, trihydrate, (2S,5R,6R)-, 6-(D-(2-Amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid,

Complexity	562
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	403.141g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	403.45g/mol
Monoisotopic Mass	403.141g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	141A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number